5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide

C19H24N2O2S — CID 108782715

IUPAC5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
SMILESC=CCNC(=S)N1CCC2(CC1)CC(=O)c1c(C)cc(C)cc1O2
InChIInChI=1S/C19H24N2O2S/c1-4-7-20-18(24)21-8-5-19(6-9-21)12-15(22)17-14(3)10-13(2)11-16(17)23-19/h4,10-11H,1,5-9,12H2,2-3H3,(H,20,24)
InChIKeyQIDGUGFSMLJXMQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.16
Rot. Bonds2

About 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide

5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide (PubChem CID 108782715) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide.

Molecular Properties

Compound Name5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
PubChem CID108782715
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
SMILESC=CCNC(=S)N1CCC2(CC1)CC(=O)c1c(C)cc(C)cc1O2
InChIInChI=1S/C19H24N2O2S/c1-4-7-20-18(24)21-8-5-19(6-9-21)12-15(22)17-14(3)10-13(2)11-16(17)23-19/h4,10-11H,1,5-9,12H2,2-3H3,(H,20,24)
InChIKeyQIDGUGFSMLJXMQ-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782711
1'-(1-acetylpiperidine-4-carbonyl)-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739907
1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 108739931
1'-butylsulfonyl-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108782694
1'-[2-(4-bromophenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739938
N-ethyl-6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781779
methyl 3-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108739950
2-[1-(5,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762522
1'-[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739934
5,7-dimethyl-1'-[2-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762474
4-oxo-N-prop-2-enylpiperidine-1-carbothioamide
CID 130628814
1'-[2-(4-bromophenoxy)propanoyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739965

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide?
The IUPAC name of 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide (CID 108782715) is 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide.
What is the SMILES notation for 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide?
The canonical SMILES for 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide is C=CCNC(=S)N1CCC2(CC1)CC(=O)c1c(C)cc(C)cc1O2.
What is the InChIKey of 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide?
The InChIKey is QIDGUGFSMLJXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-7-20-18(24)21-8-5-19(6-9-21)12-15(22)17-14(3)10-13(2)11-16(17)23-19/h4,10-11H,1,5-9,12H2,2-3H3,(H,20,24).
What are the key properties of 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide?
5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide has a molecular weight of 344.48 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-oxo-N-prop-2-enylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide is sourced from PubChem (CID 108782715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).